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Compile Data Set for Download or QSAR

Found 940 hits with Last Name = 'loaëc' and Initial = 'n'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097869
PNG
(CHEMBL3589662)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12
Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50097868
PNG
(CHEMBL3589661)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 16n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097855
PNG
(CHEMBL3589666)
Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 18n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097868
PNG
(CHEMBL3589661)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 20n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50097855
PNG
(CHEMBL3589666)
Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 21n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097856
PNG
(CHEMBL3589667)
Show SMILES COc1ccc2c3[nH]c4c(I)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11IN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 22n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
CHEMBL4065432
PNG
Show InChI InChI=1/C17H19N5O2/c1-2-14(11-23)20-16-6-7-17-18-10-15(22(17)21-16)13-5-3-4-12(8-13)9-19-24/h3-10,14,23-24H,2,11H2,1H3,(H,20,21)/b19-9+/t14-/s2
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n/an/a 23n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50097855
PNG
(CHEMBL3589666)
Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 23n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097854
PNG
(CHEMBL3589665)
Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 23n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
CHEMBL4065432
PNG
Show InChI InChI=1/C17H19N5O2/c1-2-14(11-23)20-16-6-7-17-18-10-15(22(17)21-16)13-5-3-4-12(8-13)9-19-24/h3-10,14,23-24H,2,11H2,1H3,(H,20,21)/b19-9+/t14-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50097854
PNG
(CHEMBL3589665)
Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 25n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
CHEMBL4061526
PNG
Show InChI InChI=1/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/s2
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n/an/a 27n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
CHEMBL4061526
PNG
Show InChI InChI=1/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50185005
PNG
(CHEMBL3823483)
Show SMILES Nc1ncc2cc3cnccc3c(N)c2n1
Show InChI InChI=1S/C11H9N5/c12-9-8-1-2-14-4-6(8)3-7-5-15-11(13)16-10(7)9/h1-5H,12H2,(H2,13,15,16)
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n/an/a 28n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using myelin basic protein as substrate incubated for 30 mins in presen...


Eur J Med Chem 118: 170-7 (2016)


BindingDB Entry DOI: 10.7270/Q29888XM
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
CHEMBL4061526
PNG
Show InChI InChI=1/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/s2
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n/an/a 28n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV


Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
CHEMBL4102871
PNG
Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3


(Homo sapiens (Human))
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK3 expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097867
PNG
(CHEMBL3589660)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097872
PNG
(CHEMBL3589663)
Show SMILES COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O
Show InChI InChI=1S/C17H12N2O3/c1-22-12-8-4-6-10-13-15(19-14(10)12)9-5-2-3-7-11(9)18-16(13)17(20)21/h2-8,19H,1H3,(H,20,21)
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Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
CHEMBL4102871
PNG
Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)
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n/an/a 32n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
CHEMBL4071322
PNG
Show InChI InChI=1/C19H22N4O3/c1-3-15(12-24)21-17-8-9-18-20-11-16(23(18)22-17)13-6-5-7-14(10-13)19(25)26-4-2/h5-11,15,24H,3-4,12H2,1-2H3,(H,21,22)/t15-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50097868
PNG
(CHEMBL3589661)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
CHEMBL4072506
PNG
Show InChI InChI=1S/C14H12N4O2/c1-20-14-6-5-13-15-9-12(18(13)17-14)11-4-2-3-10(7-11)8-16-19/h2-9,19H,1H3/b16-8+
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50097854
PNG
(CHEMBL3589665)
Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50097868
PNG
(CHEMBL3589661)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
CHEMBL4071322
PNG
Show InChI InChI=1/C19H22N4O3/c1-3-15(12-24)21-17-8-9-18-20-11-16(23(18)22-17)13-6-5-7-14(10-13)19(25)26-4-2/h5-11,15,24H,3-4,12H2,1-2H3,(H,21,22)/t15-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibitory concentration against thrombin (FIIa); n=2


Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
CHEMBL4071322
PNG
Show InChI InChI=1/C19H22N4O3/c1-3-15(12-24)21-17-8-9-18-20-11-16(23(18)22-17)13-6-5-7-14(10-13)19(25)26-4-2/h5-11,15,24H,3-4,12H2,1-2H3,(H,21,22)/t15-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
CHEMBL4092673
PNG
Show InChI InChI=1/C20H23N5O3/c1-4-17(12-26)24(14(3)28)20-9-8-19-21-11-18(25(19)23-20)15-6-5-7-16(10-15)22-13(2)27/h5-11,17,26H,4,12H2,1-3H3,(H,22,27)/t17-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
CHEMBL4061526
PNG
Show InChI InChI=1/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097862
PNG
(CHEMBL3589673)
Show SMILES COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-12-10(7-8)15-13(16(19-12)17(21)22)9-3-2-4-11(18)14(9)20-15/h2-7,20H,1H3,(H,21,22)
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Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
CHEMBL4061526
PNG
Show InChI InChI=1/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
CHEMBL4092673
PNG
Show InChI InChI=1/C20H23N5O3/c1-4-17(12-26)24(14(3)28)20-9-8-19-21-11-18(25(19)23-20)15-6-5-7-16(10-15)22-13(2)27/h5-11,17,26H,4,12H2,1-3H3,(H,22,27)/t17-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
CHEMBL4102871
PNG
Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50097867
PNG
(CHEMBL3589660)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50185005
PNG
(CHEMBL3823483)
Show SMILES Nc1ncc2cc3cnccc3c(N)c2n1
Show InChI InChI=1S/C11H9N5/c12-9-8-1-2-14-4-6(8)3-7-5-15-11(13)16-10(7)9/h1-5H,12H2,(H2,13,15,16)
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n/an/a 41n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate


Eur J Med Chem 118: 170-7 (2016)


BindingDB Entry DOI: 10.7270/Q29888XM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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n/an/a 41n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
CHEMBL4093104
PNG
Show InChI InChI=1/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
CHEMBL4070189
PNG
Show InChI InChI=1/C17H20N4O3S/c1-3-13(11-22)19-16-7-8-17-18-10-15(21(17)20-16)12-5-4-6-14(9-12)25(2,23)24/h4-10,13,22H,3,11H2,1-2H3,(H,19,20)/t13-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
CHEMBL4093104
PNG
Show InChI InChI=1/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50097855
PNG
(CHEMBL3589666)
Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
CHEMBL4070227
PNG
Show InChI InChI=1/C21H27N5O2/c1-3-17(13-27)22-11-15-6-5-7-16(10-15)19-12-23-21-9-8-20(25-26(19)21)24-18(4-2)14-28/h5-12,17-18,27-28H,3-4,13-14H2,1-2H3,(H,24,25)/b22-11+/t17-,18-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
CHEMBL4097368
PNG
Show InChI InChI=1/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
CHEMBL4061526
PNG
Show InChI InChI=1/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
CHEMBL4105084
PNG
Show InChI InChI=1/C16H17ClN4O/c1-2-13(10-22)19-15-6-7-16-18-9-14(21(16)20-15)11-4-3-5-12(17)8-11/h3-9,13,22H,2,10H2,1H3,(H,19,20)/t13-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
CHEMBL4084919
PNG
Show InChI InChI=1/C21H27N5O2/c1-3-17(13-27)22-11-15-6-5-7-16(10-15)19-12-23-21-9-8-20(25-26(19)21)24-18(4-2)14-28/h5-12,17-18,27-28H,3-4,13-14H2,1-2H3,(H,24,25)/b22-11+/t17-,18-/s2
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n/an/a 44n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50097867
PNG
(CHEMBL3589660)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 45n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
CHEMBL4070189
PNG
Show InChI InChI=1/C17H20N4O3S/c1-3-13(11-22)19-16-7-8-17-18-10-15(21(17)20-16)12-5-4-6-14(9-12)25(2,23)24/h4-10,13,22H,3,11H2,1-2H3,(H,19,20)/t13-/s2
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n/an/a 47n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV


Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
CHEMBL4105084
PNG
Show InChI InChI=1/C16H17ClN4O/c1-2-13(10-22)19-15-6-7-16-18-9-14(21(16)20-15)11-4-3-5-12(17)8-11/h3-9,13,22H,2,10H2,1H3,(H,19,20)/t13-/s2
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n/an/a 48n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
CHEMBL4071322
PNG
Show InChI InChI=1/C19H22N4O3/c1-3-15(12-24)21-17-8-9-18-20-11-16(23(18)22-17)13-6-5-7-14(10-13)19(25)26-4-2/h5-11,15,24H,3-4,12H2,1-2H3,(H,21,22)/t15-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
CHEMBL4070189
PNG
Show InChI InChI=1/C17H20N4O3S/c1-3-13(11-22)19-16-7-8-17-18-10-15(21(17)20-16)12-5-4-6-14(9-12)25(2,23)24/h4-10,13,22H,3,11H2,1-2H3,(H,19,20)/t13-/s2
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL




Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
More data for this
Ligand-Target Pair
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